3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid

C19H29NO6 — CID 2934743

IUPAC3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid
SMILESCC1CCCN(CCOc2ccccc2OC(C)C)C1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-14(2)20-17-9-5-4-8-16(17)19-12-11-18-10-6-7-15(3)13-18;3-1(4)2(5)6/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyLYQMTFINEALFPT-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.74
Rot. Bonds6

About 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid

3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid (PubChem CID 2934743) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid
PubChem CID2934743
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid
SMILESCC1CCCN(CCOc2ccccc2OC(C)C)C1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-14(2)20-17-9-5-4-8-16(17)19-12-11-18-10-6-7-15(3)13-18;3-1(4)2(5)6/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyLYQMTFINEALFPT-UHFFFAOYSA-N
XLogP2.74
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
1-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid
CID 2935375
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea
CID 168533022
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
1-[2-(2-butan-2-ylphenoxy)ethyl]-4-methylpiperidine;oxalic acid
CID 2922789
4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine
CID 99931082
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid?
The IUPAC name of 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid (CID 2934743) is 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid.
What is the SMILES notation for 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid?
The canonical SMILES for 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid is CC1CCCN(CCOc2ccccc2OC(C)C)C1.O=C(O)C(=O)O.
What is the InChIKey of 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid?
The InChIKey is LYQMTFINEALFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C2H2O4/c1-14(2)20-17-9-5-4-8-16(17)19-12-11-18-10-6-7-15(3)13-18;3-1(4)2(5)6/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid?
3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid has a molecular weight of 367.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid is sourced from PubChem (CID 2934743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).